5-fluoro-4-N-(2-methylbutyl)pyrimidine-2,4-diamine

C9H15FN4 — CID 80832532

IUPAC5-fluoro-4-N-(2-methylbutyl)pyrimidine-2,4-diamine
SMILESCCC(C)CNc1nc(N)ncc1F
InChIInChI=1S/C9H15FN4/c1-3-6(2)4-12-8-7(10)5-13-9(11)14-8/h5-6H,3-4H2,1-2H3,(H3,11,12,13,14)
InChIKeyLHHVWJFWVCSQQR-UHFFFAOYSA-N
MW198.25 g/mol
LogP1.66
Rot. Bonds4

About 5-fluoro-4-N-(2-methylbutyl)pyrimidine-2,4-diamine

5-fluoro-4-N-(2-methylbutyl)pyrimidine-2,4-diamine (PubChem CID 80832532) has the molecular formula C9H15FN4 and a molecular weight of 198.25 g/mol. Its IUPAC name is 5-fluoro-4-N-(2-methylbutyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-(2-methylbutyl)pyrimidine-2,4-diamine
PubChem CID80832532
Molecular FormulaC9H15FN4
Molecular Weight198.25 g/mol
Exact Mass198.13
IUPAC Name5-fluoro-4-N-(2-methylbutyl)pyrimidine-2,4-diamine
SMILESCCC(C)CNc1nc(N)ncc1F
InChIInChI=1S/C9H15FN4/c1-3-6(2)4-12-8-7(10)5-13-9(11)14-8/h5-6H,3-4H2,1-2H3,(H3,11,12,13,14)
InChIKeyLHHVWJFWVCSQQR-UHFFFAOYSA-N
XLogP1.66
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,2-difluoroethyl)-5-fluoropyrimidine-2,4-diamine
CID 115409525
1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-4-methylpentan-2-ol
CID 107159768
5-fluoro-4-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrimidine-2,4-diamine
CID 80832624
4-N-[3-(diethylamino)propyl]-5-fluoropyrimidine-2,4-diamine
CID 80777648
1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 106296405
2-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106258368
3-N-(2-methylbutyl)pyrazine-2,3-diamine
CID 102984244
4-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 80851152
2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N-ethylpropanamide
CID 80800082
5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 80814214
5-fluoro-4-N-[(2,4,6-trifluorophenyl)methyl]pyrimidine-2,4-diamine
CID 141388727
4-N-[4-(dimethylamino)butyl]-5-fluoropyrimidine-2,4-diamine
CID 80816916

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-(2-methylbutyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-(2-methylbutyl)pyrimidine-2,4-diamine (CID 80832532) is 5-fluoro-4-N-(2-methylbutyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-(2-methylbutyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-(2-methylbutyl)pyrimidine-2,4-diamine is CCC(C)CNc1nc(N)ncc1F.
What is the InChIKey of 5-fluoro-4-N-(2-methylbutyl)pyrimidine-2,4-diamine?
The InChIKey is LHHVWJFWVCSQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN4/c1-3-6(2)4-12-8-7(10)5-13-9(11)14-8/h5-6H,3-4H2,1-2H3,(H3,11,12,13,14).
What are the key properties of 5-fluoro-4-N-(2-methylbutyl)pyrimidine-2,4-diamine?
5-fluoro-4-N-(2-methylbutyl)pyrimidine-2,4-diamine has a molecular weight of 198.25 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-(2-methylbutyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80832532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).